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Physics-Based Computational Protein Design: An Update

David Mignon , Karen Druart , Eleni Michael , Vaitea Opuu , Savvas Polydorides , et al.
Journal of Physical Chemistry A, 2020, 124 (51), pp.10637-10648. ⟨10.1021/acs.jpca.0c07605⟩
Article dans une revue hal-03252554v1
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Défis algorithmiques pour les simulations biomoléculaires et la conception de protéines

Karen Druart
Bio-Informatique, Biologie Systémique [q-bio.QM]. Université Paris Saclay (COmUE), 2016. Français. ⟨NNT : 2016SACLX080⟩
Thèse tel-01502014v1

Protein:Ligand binding free energies: A stringent test for computational protein design

Karen Druart , Zoltan Palmai , Eyaz Omarjee , Thomas Simonson
Journal of Computational Chemistry, 2016, 37 (4), pp.404-415. ⟨10.1002/jcc.24230⟩
Article dans une revue istex hal-01276168v1
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InDeep: 3D fully convolutional neural networks to assist in silico drug design on protein–protein interactions

Vincent Mallet , Luis Checa Ruano , Alexandra Moine Franel , Michael Nilges , Karen Druart , et al.
Bioinformatics, 2021, 38 (5), pp.1261 - 1268. ⟨10.1093/bioinformatics/btab849⟩
Article dans une revue pasteur-04102799v1
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Yersiniomics, a Multi-Omics Interactive Database for Yersinia Species

Pierre Lê-Bury , Karen Druart , Cyril Savin , Pierre Lechat , Guillem Mas Fiol , et al.
Microbiology Spectrum, 2023, 11 (2), ⟨10.1128/spectrum.03826-22⟩
Article dans une revue pasteur-04102830v1

Probing the stereospecificity of tyrosyl- and glutaminyl-tRNA synthetase with molecular dynamics

Karen Druart , Maeva Le Guennec , Zoltan Palmai , Thomas Simonson
Journal of Molecular Graphics and Modelling, 2017, 71, pp.192-199. ⟨10.1016/j.jmgm.2016.11.007⟩
Article dans une revue hal-01954902v1
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Comparing Top-Down Proteoform Identification: Deconvolution, PrSM Overlap, and PTM Detection

David Tabb , Kyowon Jeong , Karen Druart , Megan Gant , Kyle Brown , et al.
Journal of Proteome Research, 2023, In press. ⟨10.1021/acs.jproteome.2c00673⟩
Article dans une revue pasteur-04111608v1

Redesigning the stereospecificity of tyrosyl-tRNA synthetase

Thomas Simonson , Shixin Ye-Lehmann , Zoltan Palmai , Najette Amara , Sandra Wydau-Dematteis , et al.
Proteins: Structure, Function, and Genetics, 2016, 84 (2), pp.240-253. ⟨10.1002/prot.24972⟩
Article dans une revue istex hal-01315193v1
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The iPPI-DB initiative: a community-centered database of protein–protein interaction modulators

Rachel Torchet , Karen Druart , Luis Checa Ruano , Alexandra Moine-Franel , Hélène Borges , et al.
Bioinformatics, 2021, 37 (1), pp.89-96. ⟨10.1093/bioinformatics/btaa1091⟩
Article dans une revue hal-03252561v1
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MinOmics, an Integrative and Immersive Tool for Multi-Omics Analysis

Alexandre Maes , Xavier Martinez , Karen Druart , Benoist Laurent , Sean Guégan , et al.
Journal of Integrative Bioinformatics, 2018, 15 (2), pp.20180006. ⟨10.1515/jib-2018-0006⟩
Article dans une revue hal-01935585v1
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Phylogenetic analysis of Harmonin homology domains

Baptiste Colcombet-Cazenave , Karen Druart , Crystel Bonnet , Christine Petit , Olivier Spérandio , et al.
BMC Bioinformatics, 2021, 22 (1), pp.190. ⟨10.1186/s12859-021-04116-5⟩
Article dans une revue hal-03200406v1
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MSclassifR: an R package for supervised classification of mass spectra with machine learning methods

Alexandre Godmer , Yahia Benzerara , Emmanuelle Varon , Nicolas Veziris , Karen Druart , et al.
2023
Pré-publication, Document de travail pasteur-04093599v2
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Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis

G Moroy , O Sperandio , S Rielland , S Khemka , K Druart , et al.
Future Medicinal Chemistry, 2015, 7 (17), pp.2317-2331. ⟨10.4155/fmc.15.150⟩
Article dans une revue hal-01274987v1

A Hybrid Monte Carlo Scheme for Multibackbone Protein Design

Karen Druart , Julien Bigot , Edouard Audit , Thomas Simonson
Journal of Chemical Theory and Computation, 2016, ⟨10.1021/acs.jctc.6b00421⟩
Article dans une revue cea-01412185v1
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A multiparameter optimization in middle‐down analysis of monoclonal antibodies by LC–MS/MS

Jonathan Dhenin , Mathieu Dupré , Karen Druart , Alain Krick , Christine Mauriac , et al.
Journal of Mass Spectrometry, 2023, 58 (3), pp.e4909. ⟨10.1002/jms.4909⟩
Article dans une revue pasteur-04102833v1

Computational protein design: The proteus software and selected applications.

Thomas Simonson , Thomas Gaillard , David Mignon , Marcel Schmidt Am Busch , Anne Lopes , et al.
Journal of Computational Chemistry, 2013, 34 (28), pp.2472-84. ⟨10.1002/jcc.23418⟩
Article dans une revue istex hal-00868677v1